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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ribonucleoside-diphosphate reductase large subunit' and Ligand = 'BDBM50033459'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Ribonucleoside-diphosphate reductase large subunit


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50033459
PNG
((S)-2-((S)-2-{(S)-2-[(S)-2-((S)-2-Acetylamino-3-me...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(=O)N1CCCC1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C30H50N6O10/c1-15(2)12-21(30(45)46)34-27(42)20(14-23(39)40)32-26(41)19(13-22(38)36-10-8-9-11-36)33-28(43)25(17(5)6)35-29(44)24(16(3)4)31-18(7)37/h15-17,19-21,24-25H,8-14H2,1-7H3,(H,31,37)(H,32,41)(H,33,43)(H,34,42)(H,35,44)(H,39,40)(H,45,46)/t19-,20-,21-,24-,25-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 880n/an/an/an/an/an/a



Bio-Méga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Herpes simplex virus (HSV) ribonucleotide reductase (RR)

J Med Chem 39: 2178-87 (1996)


Article DOI: 10.1021/jm950825x
BindingDB Entry DOI: 10.7270/Q2BG2N22
More data for this
Ligand-Target Pair